In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2011 | 17 | Yes |
Popular Name: (2S)-N1-(3,3-dimethylbutyl)-3-ethyl-N2,N2-dimethyl-pentane-1,2-diamine (2S)-N1-(3,3-dimethylbutyl)-3-et…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.87 | 8.69 | -118.1 | 3 | 2 | 2 | 21 | 244.467 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.87 | 7.32 | -32.38 | 2 | 2 | 1 | 16 | 243.459 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.87 | 7.18 | -35.74 | 2 | 2 | 1 | 20 | 243.459 | 9 | ↓ |